Experiment: 3CC4

 3CC4

Co-crystal Structure of Anisomycin Bound to the 50S Ribosomal Subunit


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1sitting drop5.8292PEG6000, KCL, NH4CL, MGCl2, pH 5.8, sitting drop, temperature 292K
Crystal Properties
Matthews coefficientSolvent content
3.0759.98

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 211.78α = 90
b = 299.084β = 90
c = 573.837γ = 90
Symmetry
Space GroupC 2 2 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 31554-pole harmonic emission undulator, a vertically focusing mirror and a horizontally focusing monochromator2005-09-18SINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONNSLS BEAMLINE X29A1.0NSLSX29A

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
12.75099.90.1069.76.8492663
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.72.7799.15.434630

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONTHROUGHOUT2.749.85478088470296.90.2020.244RANDOM52.5
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
0.173-3.17
RMS Deviations
KeyRefinement Restraint Deviation
c_dihedral_angle_d16.2
c_scangle_it2.2
c_mcangle_it2.02
c_improper_angle_d1.45
c_scbond_it1.44
c_mcbond_it1.15
c_angle_deg1.1
c_bond_d0.007
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms29375
Nucleic Acid Atoms61620
Solvent Atoms7816
Heterogen Atoms324

Software

Software
Software NamePurpose
DENZOdata reduction
SCALEPACKdata scaling
CNSrefinement
PDB_EXTRACTdata extraction
CBASSdata collection
HKL-2000data reduction
CNSphasing